结核菌素5'-三磷酸
TL;DR: 结核菌素5'-三磷酸 (CAS 109123-75-3) is a chemical compound with molecular formula C11H17N4O13P3 and molecular weight 506.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
结核菌素5'-三磷酸
[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: Tubercidin 5'-triphosphate, Tubercidin Triphosphate, 7-Deazaadenosine-5'-Triphosphate, Tubercidintri phosphate, 7-CH-ATP
| Molecular Formula | C11H17N4O13P3 |
|---|---|
| Molecular Weight | 506.00 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 266.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 506.0005 |
| Heavy Atoms | 31 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 109123-75-3 |
|---|---|
| SMILES | C1=CN(C2=NC=NC(=C21)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O |
| InChIKey | GVVRDIINMFAFEO-KCGFPETGSA-N |
Product Overview
结核菌素5'-三磷酸 (CAS 109123-75-3), with molecular formula C11H17N4O13P3 and molecular weight 506.00 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 结核菌素5'-三磷酸
Property Insights of 结核菌素5'-三磷酸
The XLogP value of -5.2 indicates that 结核菌素5'-三磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting 结核菌素5'-三磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 结核菌素5'-三磷酸 has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 结核菌素5'-三磷酸?
The CAS number of 结核菌素5'-三磷酸 is 109123-75-3.
What is the molecular formula of 结核菌素5'-三磷酸?
The molecular formula of 结核菌素5'-三磷酸 is C11H17N4O13P3.
What is the molecular weight of 结核菌素5'-三磷酸?
The molecular weight of 结核菌素5'-三磷酸 is 506.00 g/mol.
Where can I buy 结核菌素5'-三磷酸?
You can request a quote for 结核菌素5'-三磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 结核菌素5'-三磷酸?
Yes, KEHONG BIO provides custom synthesis services for 结核菌素5'-三磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.